ATOM 53
1 C1x C 35.1400 -24.1500
2 C1y C 35.1400 -25.5500
3 C1z C 36.3300 -26.2500
4 C1y C 37.5200 -25.5500
5 C1z C 37.5200 -24.1500
6 C1x C 36.3300 -23.5200
7 C1x C 38.7800 -26.2500
8 C1x C 39.9700 -25.5500
9 C1z C 39.9700 -24.1500
10 C1y C 38.7800 -23.5200
11 C1z C 41.1600 -23.5200
12 C1y C 41.1600 -22.1200
13 C1y C 39.9700 -21.4200
14 C1x C 38.7800 -22.1200
15 C1x C 43.5400 -23.5200
16 C1x C 43.5400 -22.1200
17 C1y C 42.3500 -21.4200
18 O2a O 33.9500 -26.2500
19 C1y C 32.7600 -26.9500
20 O2x O 31.5700 -26.2500
21 C1y C 30.3800 -26.9500
22 C1y C 30.3800 -28.3500
23 C1y C 31.5700 -29.0500
24 C1y C 32.7600 -28.3500
25 C1a C 37.5200 -22.8200
26 O1a O 39.9700 -20.2300
27 C1a C 39.9700 -23.1000
28 C1a C 41.1600 -24.8500
29 C1d C 42.3500 -20.0200
30 C1b C 43.5400 -19.3200
31 O1a O 41.1600 -19.3200
32 C1a C 42.3500 -18.5500
33 C1b C 44.7300 -20.0200
34 C2b C 45.9200 -19.3200
35 C2c C 47.1100 -20.0200
36 C1a C 48.2300 -19.3200
37 C1a C 47.1100 -21.4200
38 O1a O 31.5700 -30.3800
39 O1a O 33.9500 -28.9800
40 O1a O 29.1900 -28.9800
41 C1b C 29.1200 -26.2500
42 O2a O 27.8600 -27.0200
43 C1y C 26.4600 -27.9300
44 O2x O 25.2700 -27.2300
45 C1x C 24.0800 -27.9300
46 C1y C 24.0800 -29.2600
47 C1y C 25.2700 -29.9600
48 C1y C 26.4600 -29.2600
49 O1a O 25.2700 -31.3600
50 O1a O 22.8900 -29.9600
51 O1a O 27.6500 -29.9600
52 C1a C 37.0553 -27.3651
53 C1a C 35.6047 -27.4351
BOND 58
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 2 18 1
22 19 18 1
23 19 20 1
24 20 21 1
25 21 22 1
26 22 23 1
27 23 24 1
28 19 24 1
29 5 25 1
30 13 26 1
31 9 27 1
32 11 28 1
33 17 29 1
34 29 30 1
35 29 31 1
36 29 32 1
37 30 33 1
38 33 34 1
39 34 35 2
40 35 36 1
41 35 37 1
42 23 38 1
43 24 39 1
44 22 40 1
45 21 41 1
46 41 42 1
47 43 42 1
48 43 44 1
49 44 45 1
50 45 46 1
51 46 47 1
52 47 48 1
53 43 48 1
54 47 49 1
55 46 50 1
56 48 51 1
57 3 52 1
58 3 53 1
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